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6-[bis(1-azulenyl)methyl]azulene-1,3-dicarboxylic acid diethyl ester
SpectraBase Compound ID KUFO7P7vhH8
InChI InChI=1S/C37H30O4/c1-3-40-36(38)33-23-34(37(39)41-4-2)30-20-18-26(17-19-29(30)33)35(31-21-15-24-11-7-5-9-13-27(24)31)32-22-16-25-12-8-6-10-14-28(25)32/h5-23,35H,3-4H2,1-2H3
InChIKey VQZYLCOBBVTTHG-UHFFFAOYSA-N
Mol Weight 538.6 g/mol
Molecular Formula C37H30O4
Exact Mass 538.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FvQ1CEp22Op
Name 6-[bis(1-azulenyl)methyl]azulene-1,3-dicarboxylic acid diethyl ester
Alternate Name(s) 6-[di(azulen-1-yl)methyl]azulene-1,3-dicarboxylic acid diethyl ester diethyl 6-[di(azulen-1-yl)methyl]azulene-1,3-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C37H30O4
InChI InChI=1S/C37H30O4/c1-3-40-36(38)33-23-34(37(39)41-4-2)30-20-18-26(17-19-29(30)33)35(31-21-15-24-11-7-5-9-13-27(24)31)32-22-16-25-12-8-6-10-14-28(25)32/h5-23,35H,3-4H2,1-2H3
InChIKey VQZYLCOBBVTTHG-UHFFFAOYSA-N
Molecular Weight 538.643 g/mol
SMILES C(c1ccc2c(cc(c2cc1)C(=O)OCC)C(=O)OCC)(c1ccc2cccccc12)c1ccc2cccccc12
SPLASH splash10-00kr-0060090000-5fc5eaa52802cd088aec
Source of Spectrum F-68-9760-9
Wiley ID 1573969